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CHEBI:42686 - 4-[(3-CYANO-BENZYL)-(3-METHYL-3H-IMIDAZOL-4-YLMETHYL)-AMINO]-2-NAPHTHALEN-1-YL-BENZONITRILE

Default Structure
ChEBI IDCHEBI:42686
ChEBI Name4-[(3-CYANO-BENZYL)-(3-METHYL-3H-IMIDAZOL-4-YLMETHYL)-AMINO]-2-NAPHTHALEN-1-YL-BENZONITRILE
Stars
Last Modified17 October 2009
DownloadsMolfile
FormulaC30H23N5
Net Charge0
Average Mass453.549
Monoisotopic Mass453.19535
SMILES[H]c1nc([H])n(C([H])([H])[H])c1C([H])([H])N(c1c([H])c([H])c(C#N)c(-c2c([H])c([H])c([H])c3c([H])c([H])c([H])c([H])c23)c1[H])C([H])([H])c1c([H])c([H])c([H])c(C#N)c1[H]
InChIInChI=1S/C30H23N5/c1-34-21-33-18-27(34)20-35(19-23-7-4-6-22(14-23)16-31)26-13-12-25(17-32)30(15-26)29-11-5-9-24-8-2-3-10-28(24)29/h2-15,18,21H,19-20H2,1H3
InChIKeyIQZCODLAPFPVNS-UHFFFAOYSA-N
ChEBI Ontology
Outgoing Relation(s)
4-[(3-CYANO-BENZYL)-(3-METHYL-3H-IMIDAZOL-4-YLMETHYL)-AMINO]-2-NAPHTHALEN-1-YL-BENZONITRILE (CHEBI:42686) is a unclassifieds (CHEBI:27189)
Synonyms  Source
4-{(3-cyanobenzyl)[(1-methyl-1H-imidazol-5-yl)methyl]amino}-2-naphthalen-1-ylbenzonitrilePDBeChem
4-[(3-CYANO-BENZYL)-(3-METHYL-3H-IMIDAZOL-4-YLMETHYL)-AMINO]-2-NAPHTHALEN-1-YL-BENZONITRILEPDBeChem
Manual XrefsDatabases
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